4-[2,2-difluoroethyl(methyl)amino]-2-(methylamino)-2-phenylbutanoic acid

C14H20F2N2O2 — CID 116693923

IUPAC4-[2,2-difluoroethyl(methyl)amino]-2-(methylamino)-2-phenylbutanoic acid
SMILESCNC(CCN(C)CC(F)F)(C(=O)O)c1ccccc1
InChIInChI=1S/C14H20F2N2O2/c1-17-14(13(19)20,11-6-4-3-5-7-11)8-9-18(2)10-12(15)16/h3-7,12,17H,8-10H2,1-2H3,(H,19,20)
InChIKeyDWFONLHBFSXRBB-UHFFFAOYSA-N
MW286.32 g/mol
LogP1.77
Rot. Bonds8

About 4-[2,2-difluoroethyl(methyl)amino]-2-(methylamino)-2-phenylbutanoic acid

4-[2,2-difluoroethyl(methyl)amino]-2-(methylamino)-2-phenylbutanoic acid (PubChem CID 116693923) has the molecular formula C14H20F2N2O2 and a molecular weight of 286.32 g/mol. Its IUPAC name is 4-[2,2-difluoroethyl(methyl)amino]-2-(methylamino)-2-phenylbutanoic acid.

Molecular Properties

Compound Name4-[2,2-difluoroethyl(methyl)amino]-2-(methylamino)-2-phenylbutanoic acid
PubChem CID116693923
Molecular FormulaC14H20F2N2O2
Molecular Weight286.32 g/mol
Exact Mass286.15
IUPAC Name4-[2,2-difluoroethyl(methyl)amino]-2-(methylamino)-2-phenylbutanoic acid
SMILESCNC(CCN(C)CC(F)F)(C(=O)O)c1ccccc1
InChIInChI=1S/C14H20F2N2O2/c1-17-14(13(19)20,11-6-4-3-5-7-11)8-9-18(2)10-12(15)16/h3-7,12,17H,8-10H2,1-2H3,(H,19,20)
InChIKeyDWFONLHBFSXRBB-UHFFFAOYSA-N
XLogP1.77
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-4-[methyl(2-methylpropyl)amino]-2-phenylbutanamide
CID 116693625
4-[cyclopropyl(ethyl)amino]-2-(methylamino)-2-phenylbutanoic acid
CID 116693715
4-[cyclopropyl(propyl)amino]-2-(methylamino)-2-phenylbutanoic acid
CID 116693729
2-(methylamino)-4-(4-methylpentoxy)-2-phenylbutanoic acid
CID 116694125
4-[ethyl(2-methylpropyl)amino]-2-(methylamino)-2-phenylbutanamide
CID 116693639
2-(methylamino)-2-phenyl-4-(2,2,2-trifluoroethoxy)butanoic acid
CID 116694249
4-(2-methoxyethylsulfanyl)-2-(methylamino)-2-phenylbutanoic acid
CID 116694492
4-[1-cyclopropylethyl(methyl)amino]-2-(methylamino)-2-phenylbutanamide
CID 116693758
2-(ethylamino)-4-[2-methoxyethyl(methyl)amino]-2-phenylbutanoic acid
CID 116693828
4-[butan-2-yl(ethyl)amino]-2-(methylamino)-2-phenylbutanamide
CID 116693705
4-[2,2-difluoroethyl(methyl)amino]-2-phenyl-2-(propylamino)butanenitrile
CID 116692672
3-[cyclobutylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropanoic acid
CID 62861208

Frequently Asked Questions

What is the IUPAC name of 4-[2,2-difluoroethyl(methyl)amino]-2-(methylamino)-2-phenylbutanoic acid?
The IUPAC name of 4-[2,2-difluoroethyl(methyl)amino]-2-(methylamino)-2-phenylbutanoic acid (CID 116693923) is 4-[2,2-difluoroethyl(methyl)amino]-2-(methylamino)-2-phenylbutanoic acid.
What is the SMILES notation for 4-[2,2-difluoroethyl(methyl)amino]-2-(methylamino)-2-phenylbutanoic acid?
The canonical SMILES for 4-[2,2-difluoroethyl(methyl)amino]-2-(methylamino)-2-phenylbutanoic acid is CNC(CCN(C)CC(F)F)(C(=O)O)c1ccccc1.
What is the InChIKey of 4-[2,2-difluoroethyl(methyl)amino]-2-(methylamino)-2-phenylbutanoic acid?
The InChIKey is DWFONLHBFSXRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2/c1-17-14(13(19)20,11-6-4-3-5-7-11)8-9-18(2)10-12(15)16/h3-7,12,17H,8-10H2,1-2H3,(H,19,20).
What are the key properties of 4-[2,2-difluoroethyl(methyl)amino]-2-(methylamino)-2-phenylbutanoic acid?
4-[2,2-difluoroethyl(methyl)amino]-2-(methylamino)-2-phenylbutanoic acid has a molecular weight of 286.32 g/mol, XLogP of 1.77, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-difluoroethyl(methyl)amino]-2-(methylamino)-2-phenylbutanoic acid is sourced from PubChem (CID 116693923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).